SCHEMBL8230645

SCHEMBL8230645

C=CC1=C(/C=C\C)S(=O)(=O)N=C(c2c(O)c3cc(F)ccc3n(CCCC3CC3)c2=O)N1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.58
NR1I2 O75469 1/20 0.58
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLK1 P53350 3/20 0.32
CRY2 Q49AN0 8/20 0.32
PER2 O15055 7/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CRY1 Q16526 6/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14366998 0.79 CYP2C9 (0.90) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL8239242 0.78 CYP2C9 (0.71) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL5089690 0.74 CYP2C9 (1.00) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6690316 0.73 CYP2C9 (0.83) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6693467 0.73 CYP2C9 (0.79) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6693468 0.73 CYP2C9 (0.81) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6687554 0.73 CYP2C9 (0.79) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6232054 0.72 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL7131813 0.72 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL7077857 0.72 CYP2C9 (0.78) CYP2C9NR1I2MAPK1HSD17B10PLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007092616-A2 COMBINATIONS COMPRISING HCV PROTEASE INHIBITOR(S) AND HCV POLYMERASE INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO SCHERING CORPORATION (US) 2007-08-16 WO disclosed